2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde

C13H22N2O4 — CID 23291887

IUPAC2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1ccoc1
InChIInChI=1S/C6H13N.C5H4O2.C2H5NO2/c7-6-4-2-1-3-5-6;6-3-5-1-2-7-4-5;3-1-2(4)5/h6H,1-5,7H2;1-4H;1,3H2,(H,4,5)
InChIKeyQOIKMDAUXZPSLA-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.40
Rot. Bonds2

About 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde

2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde (PubChem CID 23291887) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde
PubChem CID23291887
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1ccoc1
InChIInChI=1S/C6H13N.C5H4O2.C2H5NO2/c7-6-4-2-1-3-5-6;6-3-5-1-2-7-4-5;3-1-2(4)5/h6H,1-5,7H2;1-4H;1,3H2,(H,4,5)
InChIKeyQOIKMDAUXZPSLA-UHFFFAOYSA-N
XLogP1.40
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde (CID 23291887) is 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde is NC1CCCCC1.NCC(=O)O.O=Cc1ccoc1.
What is the InChIKey of 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde?
The InChIKey is QOIKMDAUXZPSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H4O2.C2H5NO2/c7-6-4-2-1-3-5-6;6-3-5-1-2-7-4-5;3-1-2(4)5/h6H,1-5,7H2;1-4H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde?
2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde is sourced from PubChem (CID 23291887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).